data_17667 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C & 13N chemical shift assignments for Toxoplasma gondii Microneme protein 4 (MIC4) residues 410-491 (apple domain 5) ; _BMRB_accession_number 17667 _BMRB_flat_file_name bmr17667.str _Entry_type original _Submission_date 2011-05-25 _Accession_date 2011-05-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matthews Steve . Prof. 2 Pete Simpson . Dr. 3 Jan Marchant . Dr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 402 "13C chemical shifts" 315 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ _Original_release_date 2011-06-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'TgMIC4-apple5 assignments' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cowper Ben . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TgMIC4-apple5 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TgMIC4-apple5 $TgMIC4-apple5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TgMIC4-apple5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TgMIC4-apple5 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; SPDFHDEVECVHTGNIGSKA QTIGEVKRASSLSECRARCQ AEKECSHYTYNVKSGLCYPK RGKPQFYKYLGDMTGSRTCD TS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 PRO 3 ASP 4 PHE 5 HIS 6 ASP 7 GLU 8 VAL 9 GLU 10 CYS 11 VAL 12 HIS 13 THR 14 GLY 15 ASN 16 ILE 17 GLY 18 SER 19 LYS 20 ALA 21 GLN 22 THR 23 ILE 24 GLY 25 GLU 26 VAL 27 LYS 28 ARG 29 ALA 30 SER 31 SER 32 LEU 33 SER 34 GLU 35 CYS 36 ARG 37 ALA 38 ARG 39 CYS 40 GLN 41 ALA 42 GLU 43 LYS 44 GLU 45 CYS 46 SER 47 HIS 48 TYR 49 THR 50 TYR 51 ASN 52 VAL 53 LYS 54 SER 55 GLY 56 LEU 57 CYS 58 TYR 59 PRO 60 LYS 61 ARG 62 GLY 63 LYS 64 PRO 65 GLN 66 PHE 67 TYR 68 LYS 69 TYR 70 LEU 71 GLY 72 ASP 73 MET 74 THR 75 GLY 76 SER 77 ARG 78 THR 79 CYS 80 ASP 81 THR 82 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LL3 "The Solution Structure Of Tgmic4 Apple-5 Domain" 100.00 82 100.00 100.00 1.96e-53 PDB 2LL4 "Haddock Structure Of Tgmic4-A5LACTO-N-Biose Complex, Based On Noe- Derived Distance Restraints" 100.00 82 100.00 100.00 1.96e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TgMIC4-apple5 'Toxoplasma gondii' 5811 Eukaryota . Toxoplasma gondii stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TgMIC4-apple5 'recombinant technology' . Escherichia coli . 'pET-32 Xa/LIC' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TgMIC4-apple5 . mM 100 200 '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D20 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TgMIC4-apple5 100-200 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.7 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 0 external indirect . . . 0.251449530 water H 1 protons ppm 4.725 external direct . . . 1.000000000 water N 15 protons ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' '3D HNCA' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TgMIC4-apple5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 5 5 HIS C C 174.436 . 1 2 5 5 HIS CA C 56.372 . 1 3 5 5 HIS CB C 30.120 . 1 4 6 6 ASP H H 8.157 . 1 5 6 6 ASP HA H 4.56 . 1 6 6 6 ASP HB2 H 2.7 . 2 7 6 6 ASP HB3 H 2.61 . 2 8 6 6 ASP C C 176.052 . 1 9 6 6 ASP CA C 54.589 . 1 10 6 6 ASP CB C 41.565 . 1 11 6 6 ASP N N 121.137 . 1 12 7 7 GLU H H 8.310 . 1 13 7 7 GLU CA C 56.684 . 1 14 7 7 GLU CB C 30.642 . 1 15 7 7 GLU N N 120.657 . 1 16 8 8 VAL H H 8.187 . 1 17 8 8 VAL HA H 4.09 . 1 18 8 8 VAL HB H 2.07 . 1 19 8 8 VAL HG1 H 0.92 . 2 20 8 8 VAL HG2 H 0.92 . 2 21 8 8 VAL C C 176.033 . 1 22 8 8 VAL CA C 62.418 . 1 23 8 8 VAL CB C 32.728 . 1 24 8 8 VAL CG1 C 21.0 . 2 25 8 8 VAL CG2 C 21.0 . 2 26 8 8 VAL N N 120.844 . 1 27 9 9 GLU H H 8.479 . 1 28 9 9 GLU C C 175.884 . 1 29 9 9 GLU CA C 57.057 . 1 30 9 9 GLU CB C 29.971 . 1 31 9 9 GLU CG C 35.9 . 1 32 9 9 GLU N N 123.333 . 1 33 11 11 VAL C C 174.795 . 1 34 11 11 VAL CA C 61.534 . 1 35 11 11 VAL CB C 34.000 . 1 36 12 12 HIS H H 8.949 . 1 37 12 12 HIS HA H 4.74 . 1 38 12 12 HIS HB2 H 2.98 . 1 39 12 12 HIS C C 175.003 . 1 40 12 12 HIS CA C 55.416 . 1 41 12 12 HIS CB C 30.195 . 1 42 12 12 HIS N N 126.122 . 1 43 13 13 THR H H 8.288 . 1 44 13 13 THR HA H 4.43 . 1 45 13 13 THR HB H 4.31 . 1 46 13 13 THR HG2 H 1.21 . 1 47 13 13 THR C C 172.467 . 1 48 13 13 THR CA C 61.683 . 1 49 13 13 THR CB C 69.891 . 1 50 13 13 THR CG2 C 21.6 . 1 51 13 13 THR N N 114.233 . 1 52 14 14 GLY H H 8.706 . 1 53 14 14 GLY HA2 H 4.29 . 2 54 14 14 GLY HA3 H 3.67 . 2 55 14 14 GLY C C 174.108 . 1 56 14 14 GLY CA C 46.984 . 1 57 14 14 GLY N N 111.187 . 1 58 15 15 ASN H H 8.385 . 1 59 15 15 ASN HA H 4.92 . 1 60 15 15 ASN HB2 H 3.25 . 2 61 15 15 ASN HB3 H 2.68 . 2 62 15 15 ASN C C 174.332 . 1 63 15 15 ASN CA C 55.042 . 1 64 15 15 ASN CB C 36.94 . 1 65 15 15 ASN N N 117.800 . 1 66 16 16 ILE H H 7.206 . 1 67 16 16 ILE HA H 4.70 . 1 68 16 16 ILE HB H 1.61 . 1 69 16 16 ILE HG12 H 1.19 . 2 70 16 16 ILE HG13 H 1.09 . 2 71 16 16 ILE HG2 H 0.63 . 1 72 16 16 ILE HD1 H 0.53 . 1 73 16 16 ILE C C 175.078 . 1 74 16 16 ILE CA C 58.549 . 1 75 16 16 ILE CB C 39.447 . 1 76 16 16 ILE CG1 C 26.3 . 1 77 16 16 ILE CG2 C 18.2 . 1 78 16 16 ILE CD1 C 10.9 . 1 79 16 16 ILE N N 119.365 . 1 80 17 17 GLY H H 8.814 . 1 81 17 17 GLY HA2 H 4.25 . 2 82 17 17 GLY HA3 H 3.66 . 2 83 17 17 GLY C C 172.750 . 1 84 17 17 GLY CA C 44.223 . 1 85 17 17 GLY N N 116.651 . 1 86 18 18 SER H H 7.266 . 1 87 18 18 SER HA H 5.56 . 1 88 18 18 SER HB2 H 3.66 . 2 89 18 18 SER HB3 H 3.66 . 2 90 18 18 SER C C 175.585 . 1 91 18 18 SER CA C 54.371 . 1 92 18 18 SER CB C 65.340 . 1 93 18 18 SER N N 107.852 . 1 94 19 19 LYS H H 9.292 . 1 95 19 19 LYS HA H 4.38 . 1 96 19 19 LYS HB2 H 1.85 . 2 97 19 19 LYS HB3 H 1.52 . 2 98 19 19 LYS HG2 H 1.07 . 2 99 19 19 LYS HG3 H 0.95 . 2 100 19 19 LYS HD2 H 1.27 . 2 101 19 19 LYS HD3 H 1.27 . 2 102 19 19 LYS HE2 H 2.38 . 2 103 19 19 LYS HE3 H 2.29 . 2 104 19 19 LYS C C 175.675 . 1 105 19 19 LYS CA C 55.789 . 1 106 19 19 LYS CB C 32.284 . 1 107 19 19 LYS CG C 25.5 . 1 108 19 19 LYS CD C 28.9 . 1 109 19 19 LYS CE C 41.2 . 1 110 19 19 LYS N N 127.211 . 1 111 20 20 ALA H H 7.720 . 1 112 20 20 ALA HA H 4.2 . 1 113 20 20 ALA HB H 1.69 . 1 114 20 20 ALA C C 175.675 . 1 115 20 20 ALA CA C 52.804 . 1 116 20 20 ALA CB C 20.345 . 1 117 20 20 ALA N N 121.840 . 1 118 21 21 GLN H H 8.422 . 1 119 21 21 GLN HA H 4.03 . 1 120 21 21 GLN HB2 H 1.96 . 2 121 21 21 GLN HB3 H 1.96 . 2 122 21 21 GLN HG2 H 2.41 . 2 123 21 21 GLN HG3 H 2.48 . 2 124 21 21 GLN C C 175.451 . 1 125 21 21 GLN CA C 57.057 . 1 126 21 21 GLN CB C 29.747 . 1 127 21 21 GLN CG C 33.9 . 1 128 21 21 GLN N N 120.576 . 1 129 22 22 THR H H 8.419 . 1 130 22 22 THR HA H 4.77 . 1 131 22 22 THR HB H 4.1 . 1 132 22 22 THR HG2 H 1.36 . 1 133 22 22 THR C C 174.720 . 1 134 22 22 THR CA C 62.280 . 1 135 22 22 THR CB C 69.891 . 1 136 22 22 THR CG2 C 23.5 . 1 137 22 22 THR N N 122.967 . 1 138 23 23 ILE H H 9.007 . 1 139 23 23 ILE HA H 4.124 . 1 140 23 23 ILE HB H 1.51 . 1 141 23 23 ILE HG12 H 0.76 . 2 142 23 23 ILE HG13 H 1.48 . 2 143 23 23 ILE HG2 H 0.76 . 1 144 23 23 ILE HD1 H 0.60 . 1 145 23 23 ILE C C 174.630 . 1 146 23 23 ILE CA C 60.361 . 1 147 23 23 ILE CB C 40.567 . 1 148 23 23 ILE CG1 C 27.0 . 1 149 23 23 ILE CG2 C 17.4 . 1 150 23 23 ILE CD1 C 14.9 . 1 151 23 23 ILE N N 128.189 . 1 152 24 24 GLY H H 8.168 . 1 153 24 24 GLY HA2 H 3.97 . 2 154 24 24 GLY HA3 H 3.75 . 2 155 24 24 GLY C C 172.944 . 1 156 24 24 GLY CA C 44.596 . 1 157 24 24 GLY N N 111.782 . 1 158 25 25 GLU H H 8.186 . 1 159 25 25 GLU HA H 4.28 . 1 160 25 25 GLU HB2 H 1.88 . 2 161 25 25 GLU HB3 H 1.87 . 2 162 25 25 GLU HG2 H 2.14 . 2 163 25 25 GLU HG3 H 2.28 . 2 164 25 25 GLU C C 176.719 . 1 165 25 25 GLU CA C 55.639 . 1 166 25 25 GLU CB C 31.016 . 1 167 25 25 GLU CG C 36.4 . 1 168 25 25 GLU N N 119.285 . 1 169 26 26 VAL H H 8.584 . 1 170 26 26 VAL HA H 4.012 . 1 171 26 26 VAL HB H 1.89 . 1 172 26 26 VAL HG1 H 0.42 . 2 173 26 26 VAL HG2 H 0.94 . 2 174 26 26 VAL C C 175.033 . 1 175 26 26 VAL CA C 63.444 . 1 176 26 26 VAL CB C 31.592 . 1 177 26 26 VAL CG1 C 21.0 . 2 178 26 26 VAL CG2 C 22.7 . 2 179 26 26 VAL N N 126.700 . 1 180 27 27 LYS H H 8.052 . 1 181 27 27 LYS HA H 4.66 . 1 182 27 27 LYS HB2 H 1.93 . 2 183 27 27 LYS HB3 H 1.65 . 2 184 27 27 LYS HG2 H 1.37 . 2 185 27 27 LYS HG3 H 1.35 . 2 186 27 27 LYS HD2 H 1.68 . 2 187 27 27 LYS HD3 H 1.68 . 2 188 27 27 LYS HE2 H 2.9 . 2 189 27 27 LYS HE3 H 2.9 . 2 190 27 27 LYS C C 176.108 . 1 191 27 27 LYS CA C 53.998 . 1 192 27 27 LYS CB C 36.463 . 1 193 27 27 LYS CG C 24.4 . 1 194 27 27 LYS CD C 29.1 . 1 195 27 27 LYS CE C 42.1 . 1 196 27 27 LYS N N 126.282 . 1 197 28 28 ARG H H 8.685 . 1 198 28 28 ARG HA H 4.61 . 1 199 28 28 ARG HB2 H 1.75 . 2 200 28 28 ARG HB3 H 1.75 . 2 201 28 28 ARG HG2 H 1.61 . 2 202 28 28 ARG HG3 H 1.61 . 2 203 28 28 ARG HD2 H 3.22 . 2 204 28 28 ARG HD3 H 3.22 . 2 205 28 28 ARG C C 177.048 . 1 206 28 28 ARG CA C 57.057 . 1 207 28 28 ARG CB C 31.090 . 1 208 28 28 ARG CG C 27.1 . 1 209 28 28 ARG CD C 43.2 . 1 210 28 28 ARG N N 122.239 . 1 211 29 29 ALA H H 9.559 . 1 212 29 29 ALA HA H 4.89 . 1 213 29 29 ALA HB H 1.40 . 1 214 29 29 ALA C C 177.122 . 1 215 29 29 ALA CA C 50.715 . 1 216 29 29 ALA CB C 22.435 . 1 217 29 29 ALA N N 126.043 . 1 218 30 30 SER HA H 4.37 . 1 219 30 30 SER HB2 H 3.98 . 2 220 30 30 SER HB3 H 3.98 . 2 221 30 30 SER C C 173.184 . 1 222 30 30 SER CA C 60.170 . 1 223 30 30 SER CB C 64.046 . 1 224 31 31 SER H H 7.154 . 1 225 31 31 SER HA H 4.5 . 1 226 31 31 SER HB2 H 4.00 . 2 227 31 31 SER HB3 H 4.10 . 2 228 31 31 SER C C 173.153 . 1 229 31 31 SER CA C 56.527 . 1 230 31 31 SER CB C 65.984 . 1 231 31 31 SER N N 110.737 . 1 232 32 32 LEU H H 8.731 . 1 233 32 32 LEU HA H 3.06 . 1 234 32 32 LEU HB2 H 1.69 . 2 235 32 32 LEU HB3 H 1.57 . 2 236 32 32 LEU HG H 1.61 . 1 237 32 32 LEU HD1 H 1.05 . 2 238 32 32 LEU HD2 H 0.93 . 2 239 32 32 LEU C C 178.625 . 1 240 32 32 LEU CA C 57.845 . 1 241 32 32 LEU CB C 42.030 . 1 242 32 32 LEU CG C 26.7 . 1 243 32 32 LEU CD1 C 25.7 . 2 244 32 32 LEU CD2 C 26.1 . 2 245 32 32 LEU N N 122.752 . 1 246 33 33 SER H H 8.221 . 1 247 33 33 SER HA H 3.87 . 1 248 33 33 SER HB2 H 3.79 . 2 249 33 33 SER HB3 H 3.79 . 2 250 33 33 SER C C 177.003 . 1 251 33 33 SER CA C 61.721 . 1 252 33 33 SER CB C 62.5 . 1 253 33 33 SER N N 113.328 . 1 254 34 34 GLU H H 7.815 . 1 255 34 34 GLU HA H 4.04 . 1 256 34 34 GLU HB2 H 1.98 . 2 257 34 34 GLU HB3 H 1.95 . 2 258 34 34 GLU HG2 H 2.4 . 2 259 34 34 GLU HG3 H 2.13 . 2 260 34 34 GLU C C 178.197 . 1 261 34 34 GLU CA C 58.98 . 1 262 34 34 GLU CB C 29.782 . 1 263 34 34 GLU CG C 36.6 . 1 264 34 34 GLU N N 123.940 . 1 265 35 35 CYS H H 7.423 . 1 266 35 35 CYS HA H 4.47 . 1 267 35 35 CYS HB2 H 2.66 . 2 268 35 35 CYS HB3 H 2.66 . 2 269 35 35 CYS C C 174.719 . 1 270 35 35 CYS CA C 56.139 . 1 271 35 35 CYS CB C 35.519 . 1 272 35 35 CYS N N 118.374 . 1 273 36 36 ARG H H 8.191 . 1 274 36 36 ARG HA H 2.45 . 1 275 36 36 ARG HB2 H 1.76 . 2 276 36 36 ARG HB3 H 1.43 . 2 277 36 36 ARG HG2 H 1.26 . 2 278 36 36 ARG HG3 H 1.26 . 2 279 36 36 ARG HD2 H 3.22 . 2 280 36 36 ARG HD3 H 3.22 . 2 281 36 36 ARG C C 178.435 . 1 282 36 36 ARG CA C 59.370 . 1 283 36 36 ARG CB C 28.852 . 1 284 36 36 ARG CG C 26.9 . 1 285 36 36 ARG CD C 43.4 . 1 286 36 36 ARG N N 120.865 . 1 287 37 37 ALA H H 7.75 . 1 288 37 37 ALA HA H 4.05 . 1 289 37 37 ALA HB H 1.46 . 1 290 37 37 ALA C C 180.405 . 1 291 37 37 ALA CA C 55.192 . 1 292 37 37 ALA CB C 17.734 . 1 293 37 37 ALA N N 121.230 . 1 294 38 38 ARG H H 7.771 . 1 295 38 38 ARG HA H 4.05 . 1 296 38 38 ARG HB2 H 2.14 . 2 297 38 38 ARG HB3 H 1.96 . 2 298 38 38 ARG HG2 H 1.72 . 2 299 38 38 ARG HG3 H 1.96 . 2 300 38 38 ARG HD2 H 3.14 . 2 301 38 38 ARG HD3 H 3.37 . 2 302 38 38 ARG C C 179.092 . 1 303 38 38 ARG CA C 59.519 . 1 304 38 38 ARG CB C 29.747 . 1 305 38 38 ARG CG C 26.9 . 1 306 38 38 ARG CD C 43.9 . 1 307 38 38 ARG N N 120.562 . 1 308 39 39 CYS H H 7.712 . 1 309 39 39 CYS HA H 4.39 . 1 310 39 39 CYS HB2 H 2.79 . 2 311 39 39 CYS HB3 H 3.22 . 2 312 39 39 CYS C C 175.884 . 1 313 39 39 CYS CA C 58.326 . 1 314 39 39 CYS CB C 41.462 . 1 315 39 39 CYS N N 115.961 . 1 316 40 40 GLN H H 8.398 . 1 317 40 40 GLN HA H 3.813 . 1 318 40 40 GLN HB2 H 2.10 . 2 319 40 40 GLN HB3 H 2.10 . 2 320 40 40 GLN HG2 H 2.31 . 2 321 40 40 GLN HG3 H 2.51 . 2 322 40 40 GLN C C 176.958 . 1 323 40 40 GLN CA C 58.251 . 1 324 40 40 GLN CB C 27.73 . 1 325 40 40 GLN CG C 34.3 . 1 326 40 40 GLN N N 116.460 . 1 327 41 41 ALA H H 7.333 . 1 328 41 41 ALA HA H 4.24 . 1 329 41 41 ALA HB H 1.52 . 1 330 41 41 ALA C C 177.033 . 1 331 41 41 ALA CA C 53.102 . 1 332 41 41 ALA CB C 19.002 . 1 333 41 41 ALA N N 118.732 . 1 334 42 42 GLU H H 7.736 . 1 335 42 42 GLU HA H 4.66 . 1 336 42 42 GLU HB2 H 2.11 . 2 337 42 42 GLU HB3 H 2.11 . 2 338 42 42 GLU HG2 H 2.40 . 2 339 42 42 GLU HG3 H 2.07 . 2 340 42 42 GLU C C 176.496 . 1 341 42 42 GLU CA C 54.296 . 1 342 42 42 GLU CB C 30.792 . 1 343 42 42 GLU CG C 35.0 . 1 344 42 42 GLU N N 120.472 . 1 345 43 43 LYS H H 8.890 . 1 346 43 43 LYS HA H 4.04 . 1 347 43 43 LYS HB2 H 1.86 . 2 348 43 43 LYS HB3 H 1.96 . 2 349 43 43 LYS HG2 H 1.52 . 2 350 43 43 LYS HG3 H 1.54 . 2 351 43 43 LYS HD2 H 1.74 . 2 352 43 43 LYS HD3 H 1.74 . 2 353 43 43 LYS HE2 H 3.05 . 2 354 43 43 LYS HE3 H 3.05 . 2 355 43 43 LYS C C 178.003 . 1 356 43 43 LYS CA C 59.743 . 1 357 43 43 LYS CB C 32.657 . 1 358 43 43 LYS CG C 24.6 . 1 359 43 43 LYS CD C 29.0 . 1 360 43 43 LYS CE C 41.8 . 1 361 43 43 LYS N N 128.833 . 1 362 44 44 GLU H H 8.917 . 1 363 44 44 GLU HA H 4.36 . 1 364 44 44 GLU HB2 H 2.31 . 2 365 44 44 GLU HB3 H 1.87 . 2 366 44 44 GLU HG2 H 2.26 . 2 367 44 44 GLU HG3 H 2.26 . 2 368 44 44 GLU C C 176.078 . 1 369 44 44 GLU CA C 56.162 . 1 370 44 44 GLU CB C 30.046 . 1 371 44 44 GLU CG C 37.2 . 1 372 44 44 GLU N N 113.761 . 1 373 45 45 CYS H H 7.642 . 1 374 45 45 CYS HA H 4.71 . 1 375 45 45 CYS HB2 H 4.01 . 2 376 45 45 CYS HB3 H 3.23 . 2 377 45 45 CYS C C 174.228 . 1 378 45 45 CYS CA C 56.386 . 1 379 45 45 CYS CB C 44.596 . 1 380 45 45 CYS N N 118.165 . 1 381 46 46 SER H H 9.717 . 1 382 46 46 SER HA H 4.86 . 1 383 46 46 SER HB2 H 4.33 . 2 384 46 46 SER HB3 H 4.13 . 2 385 46 46 SER C C 176.152 . 1 386 46 46 SER CA C 58.027 . 1 387 46 46 SER CB C 65.713 . 1 388 46 46 SER N N 125.842 . 1 389 47 47 HIS H H 8.725 . 1 390 47 47 HIS HA H 5.06 . 1 391 47 47 HIS HB2 H 3.55 . 2 392 47 47 HIS HB3 H 3.25 . 2 393 47 47 HIS HD1 H 11.65 . 1 394 47 47 HIS HD2 H 6.34 . 1 395 47 47 HIS HE1 H 6.74 . 1 396 47 47 HIS HE2 H 11.65 . 1 397 47 47 HIS C C 182.539 . 1 398 47 47 HIS CA C 55.789 . 1 399 47 47 HIS CB C 28.56 . 1 400 47 47 HIS CD2 C 126.3 . 1 401 47 47 HIS CE1 C 138.6 . 1 402 47 47 HIS N N 121.863 . 1 403 47 47 HIS ND1 N 169.3 . 1 404 47 47 HIS NE2 N 169.3 . 1 405 48 48 TYR H H 8.680 . 1 406 48 48 TYR HA H 5.52 . 1 407 48 48 TYR HB2 H 2.72 . 2 408 48 48 TYR HB3 H 2.79 . 2 409 48 48 TYR HD1 H 6.77 . 3 410 48 48 TYR HD2 H 6.77 . 3 411 48 48 TYR HE1 H 6.58 . 3 412 48 48 TYR HE2 H 6.58 . 3 413 48 48 TYR C C 172.482 . 1 414 48 48 TYR CA C 54.520 . 1 415 48 48 TYR CB C 40.865 . 1 416 48 48 TYR CD1 C 132.7 . 3 417 48 48 TYR CD2 C 132.7 . 3 418 48 48 TYR CE1 C 116.9 . 3 419 48 48 TYR CE2 C 47.3 . 3 420 48 48 TYR N N 114.233 . 1 421 49 49 THR H H 8.466 . 1 422 49 49 THR HA H 5.54 . 1 423 49 49 THR HB H 3.66 . 1 424 49 49 THR HG2 H 1.25 . 1 425 49 49 THR C C 172.497 . 1 426 49 49 THR CA C 61.833 . 1 427 49 49 THR CB C 72.204 . 1 428 49 49 THR CG2 C 23.2 . 1 429 49 49 THR N N 117.868 . 1 430 50 50 TYR H H 9.865 . 1 431 50 50 TYR HA H 5.79 . 1 432 50 50 TYR HB2 H 3.13 . 2 433 50 50 TYR HB3 H 2.91 . 2 434 50 50 TYR HD1 H 6.91 . 3 435 50 50 TYR HD2 H 6.91 . 3 436 50 50 TYR HE1 H 6.79 . 3 437 50 50 TYR HE2 H 6.79 . 3 438 50 50 TYR C C 173.123 . 1 439 50 50 TYR CA C 55.192 . 1 440 50 50 TYR CB C 43.626 . 1 441 50 50 TYR CD1 C 131.1 . 3 442 50 50 TYR CD2 C 131.1 . 3 443 50 50 TYR CE1 C 117.2 . 3 444 50 50 TYR CE2 C 117.2 . 3 445 50 50 TYR N N 129.736 . 1 446 51 51 ASN H H 8.111 . 1 447 51 51 ASN HA H 5.62 . 1 448 51 51 ASN HB2 H 3.05 . 2 449 51 51 ASN HB3 H 2.83 . 2 450 51 51 ASN HD21 H 9.60 . 2 451 51 51 ASN HD22 H 7.15 . 2 452 51 51 ASN C C 175.272 . 1 453 51 51 ASN CA C 52.505 . 1 454 51 51 ASN CB C 41.089 . 1 455 51 51 ASN N N 126.737 . 1 456 51 51 ASN ND2 N 118.3 . 1 457 52 52 VAL H H 8.489 . 1 458 52 52 VAL HA H 3.69 . 1 459 52 52 VAL HB H 2.33 . 1 460 52 52 VAL HG1 H 1.16 . 2 461 52 52 VAL HG2 H 1.19 . 2 462 52 52 VAL C C 176.943 . 1 463 52 52 VAL CA C 63.698 . 1 464 52 52 VAL CB C 31.836 . 1 465 52 52 VAL CG1 C 20.2 . 2 466 52 52 VAL CG2 C 21.5 . 2 467 52 52 VAL N N 120.584 . 1 468 53 53 LYS H H 7.844 . 1 469 53 53 LYS HA H 4.37 . 1 470 53 53 LYS HB2 H 1.95 . 2 471 53 53 LYS HB3 H 2.06 . 2 472 53 53 LYS HG2 H 1.42 . 2 473 53 53 LYS HG3 H 1.47 . 2 474 53 53 LYS HD2 H 1.68 . 2 475 53 53 LYS HD3 H 1.68 . 2 476 53 53 LYS HE2 H 3.0 . 2 477 53 53 LYS HE3 H 3.0 . 2 478 53 53 LYS C C 177.883 . 1 479 53 53 LYS CA C 57.654 . 1 480 53 53 LYS CB C 32.583 . 1 481 53 53 LYS CG C 24.7 . 1 482 53 53 LYS CD C 28.5 . 1 483 53 53 LYS CE C 41.7 . 1 484 53 53 LYS N N 119.982 . 1 485 54 54 SER H H 8.843 . 1 486 54 54 SER HA H 4.42 . 1 487 54 54 SER HB2 H 3.98 . 2 488 54 54 SER HB3 H 3.87 . 2 489 54 54 SER C C 176.108 . 1 490 54 54 SER CA C 58.326 . 1 491 54 54 SER CB C 64.444 . 1 492 54 54 SER N N 114.167 . 1 493 55 55 GLY H H 8.207 . 1 494 55 55 GLY HA2 H 4.19 . 2 495 55 55 GLY HA3 H 3.74 . 2 496 55 55 GLY C C 173.108 . 1 497 55 55 GLY CA C 46.014 . 1 498 55 55 GLY N N 112.983 . 1 499 56 56 LEU H H 7.645 . 1 500 56 56 LEU HA H 4.03 . 1 501 56 56 LEU HB2 H 1.68 . 2 502 56 56 LEU HB3 H 0.68 . 2 503 56 56 LEU HG H 1.46 . 1 504 56 56 LEU HD1 H 0.86 . 2 505 56 56 LEU HD2 H 0.58 . 2 506 56 56 LEU C C 174.168 . 1 507 56 56 LEU CA C 56.012 . 1 508 56 56 LEU CB C 42.357 . 1 509 56 56 LEU CG C 26.4 . 1 510 56 56 LEU CD1 C 24.9 . 2 511 56 56 LEU CD2 C 22.4 . 2 512 56 56 LEU N N 118.971 . 1 513 57 57 CYS H H 7.222 . 1 514 57 57 CYS HA H 5.638 . 1 515 57 57 CYS HB2 H 3.06 . 2 516 57 57 CYS HB3 H 2.90 . 2 517 57 57 CYS C C 172.497 . 1 518 57 57 CYS CA C 53.923 . 1 519 57 57 CYS CB C 40.194 . 1 520 57 57 CYS N N 117.419 . 1 521 58 58 TYR H H 10.107 . 1 522 58 58 TYR HA H 5.01 . 1 523 58 58 TYR HB2 H 3.46 . 2 524 58 58 TYR HB3 H 2.78 . 2 525 58 58 TYR HD1 H 7.23 . 3 526 58 58 TYR HD2 H 7.23 . 3 527 58 58 TYR HE1 H 6.69 . 3 528 58 58 TYR HE2 H 6.69 . 3 529 58 58 TYR C C 172.467 . 1 530 58 58 TYR CA C 53.9 . 1 531 58 58 TYR CB C 39.224 . 1 532 58 58 TYR CD1 C 133.4 . 3 533 58 58 TYR CD2 C 133.4 . 3 534 58 58 TYR CE1 C 117.6 . 3 535 58 58 TYR CE2 C 117.6 . 3 536 58 58 TYR N N 128.589 . 1 537 59 59 PRO HA H 4.64 . 1 538 59 59 PRO HB2 H 2.37 . 2 539 59 59 PRO HB3 H 2.15 . 2 540 59 59 PRO HG2 H 2.44 . 2 541 59 59 PRO HG3 H 1.66 . 2 542 59 59 PRO HD2 H 3.82 . 2 543 59 59 PRO HD3 H 4.05 . 2 544 59 59 PRO C C 175.973 . 1 545 59 59 PRO CA C 63.5 . 1 546 59 59 PRO CB C 32.284 . 1 547 59 59 PRO CG C 27.7 . 1 548 59 59 PRO CD C 51.4 . 1 549 60 60 LYS H H 9.077 . 1 550 60 60 LYS HA H 5.20 . 1 551 60 60 LYS HB2 H 0.03 . 2 552 60 60 LYS HB3 H 1.03 . 2 553 60 60 LYS HG2 H 1.05 . 2 554 60 60 LYS HG3 H 1.18 . 2 555 60 60 LYS HD2 H 1.1 . 2 556 60 60 LYS HD3 H 1.23 . 2 557 60 60 LYS HE2 H 2.81 . 2 558 60 60 LYS HE3 H 3.35 . 2 559 60 60 LYS C C 174.407 . 1 560 60 60 LYS CA C 55.042 . 1 561 60 60 LYS CB C 35.940 . 1 562 60 60 LYS CG C 24.7 . 1 563 60 60 LYS CD C 29.7 . 1 564 60 60 LYS CE C 43.5 . 1 565 60 60 LYS N N 124.051 . 1 566 61 61 ARG H H 8.039 . 1 567 61 61 ARG HA H 5.28 . 1 568 61 61 ARG HB2 H 1.92 . 2 569 61 61 ARG HB3 H 1.64 . 2 570 61 61 ARG HG2 H 1.52 . 2 571 61 61 ARG HG3 H 1.56 . 2 572 61 61 ARG HD2 H 3.16 . 2 573 61 61 ARG HD3 H 3.19 . 2 574 61 61 ARG C C 176.600 . 1 575 61 61 ARG CA C 53.102 . 1 576 61 61 ARG CB C 34.448 . 1 577 61 61 ARG CG C 26.2 . 1 578 61 61 ARG CD C 43.5 . 1 579 61 61 ARG N N 116.032 . 1 580 62 62 GLY H H 8.831 . 1 581 62 62 GLY HA2 H 4.14 . 2 582 62 62 GLY HA3 H 3.87 . 2 583 62 62 GLY C C 174.660 . 1 584 62 62 GLY CA C 44.521 . 1 585 62 62 GLY N N 106.234 . 1 586 63 63 LYS H H 8.341 . 1 587 63 63 LYS HA H 4.37 . 1 588 63 63 LYS HB2 H 1.65 . 2 589 63 63 LYS HB3 H 1.65 . 2 590 63 63 LYS HG2 H 1.46 . 2 591 63 63 LYS HG3 H 1.46 . 2 592 63 63 LYS HD2 H 1.68 . 2 593 63 63 LYS HD3 H 1.68 . 2 594 63 63 LYS HE2 H 2.98 . 2 595 63 63 LYS HE3 H 2.98 . 2 596 63 63 LYS CA C 54.371 . 1 597 63 63 LYS CB C 32.657 . 1 598 63 63 LYS CG C 24.5 . 1 599 63 63 LYS CD C 28.9 . 1 600 63 63 LYS CE C 41.8 . 1 601 63 63 LYS N N 121.546 . 1 602 64 64 PRO HA H 3.58 . 1 603 64 64 PRO HB2 H 0.36 . 2 604 64 64 PRO HB3 H 0.56 . 2 605 64 64 PRO HG2 H 1.54 . 2 606 64 64 PRO HG3 H 0.42 . 2 607 64 64 PRO HD2 H 3.26 . 2 608 64 64 PRO HD3 H 3.49 . 2 609 64 64 PRO C C 175.929 . 1 610 64 64 PRO CA C 62.952 . 1 611 64 64 PRO CB C 31.463 . 1 612 64 64 PRO CG C 26.37 . 1 613 64 64 PRO CD C 50.1 . 1 614 65 65 GLN H H 6.998 . 1 615 65 65 GLN HA H 4.51 . 1 616 65 65 GLN HB2 H 1.98 . 2 617 65 65 GLN HB3 H 1.55 . 2 618 65 65 GLN HG2 H 2.15 . 2 619 65 65 GLN HG3 H 2.19 . 2 620 65 65 GLN C C 175.600 . 1 621 65 65 GLN CA C 53.475 . 1 622 65 65 GLN CB C 31.463 . 1 623 65 65 GLN CG C 32.3 . 1 624 65 65 GLN N N 122.330 . 1 625 66 66 PHE H H 8.332 . 1 626 66 66 PHE HA H 5.59 . 1 627 66 66 PHE HB2 H 3.07 . 2 628 66 66 PHE HB3 H 2.86 . 2 629 66 66 PHE HD1 H 7.18 . 3 630 66 66 PHE HD2 H 7.18 . 3 631 66 66 PHE HE1 H 7.00 . 3 632 66 66 PHE HE2 H 7.00 . 3 633 66 66 PHE C C 176.660 . 1 634 66 66 PHE CA C 58.176 . 1 635 66 66 PHE CB C 39.8 . 1 636 66 66 PHE CD1 C 129.9 . 3 637 66 66 PHE CD2 C 129.9 . 3 638 66 66 PHE CE1 C 129.8 . 3 639 66 66 PHE CE2 C 129.8 . 3 640 66 66 PHE N N 123.218 . 1 641 67 67 TYR H H 8.622 . 1 642 67 67 TYR HA H 4.87 . 1 643 67 67 TYR HB2 H 3.13 . 2 644 67 67 TYR HB3 H 3.07 . 2 645 67 67 TYR HD1 H 7.06 . 3 646 67 67 TYR HD2 H 7.06 . 3 647 67 67 TYR HE1 H 6.53 . 3 648 67 67 TYR HE2 H 6.53 . 3 649 67 67 TYR C C 172.228 . 1 650 67 67 TYR CA C 56.012 . 1 651 67 67 TYR CB C 40.417 . 1 652 67 67 TYR CD1 C 132.6 . 3 653 67 67 TYR CD2 C 132.6 . 3 654 67 67 TYR CE1 C 116.9 . 3 655 67 67 TYR CE2 C 116.9 . 3 656 67 67 TYR N N 119.988 . 1 657 68 68 LYS H H 8.431 . 1 658 68 68 LYS HA H 4.85 . 1 659 68 68 LYS HB2 H 1.76 . 2 660 68 68 LYS HB3 H 1.76 . 2 661 68 68 LYS HG2 H 1.31 . 2 662 68 68 LYS HG3 H 1.57 . 2 663 68 68 LYS HD2 H 1.71 . 2 664 68 68 LYS HD3 H 1.71 . 2 665 68 68 LYS HE2 H 3.01 . 2 666 68 68 LYS HE3 H 3.21 . 2 667 68 68 LYS C C 175.824 . 1 668 68 68 LYS CA C 55.714 . 1 669 68 68 LYS CB C 32.881 . 1 670 68 68 LYS CG C 24.6 . 1 671 68 68 LYS CD C 28.9 . 1 672 68 68 LYS CE C 41.7 . 1 673 68 68 LYS N N 121.648 . 1 674 69 69 TYR H H 7.808 . 1 675 69 69 TYR HA H 4.10 . 1 676 69 69 TYR HB2 H 2.70 . 2 677 69 69 TYR HB3 H 2.39 . 2 678 69 69 TYR HD1 H 6.97 . 3 679 69 69 TYR HD2 H 6.97 . 3 680 69 69 TYR HE1 H 6.79 . 3 681 69 69 TYR HE2 H 6.79 . 3 682 69 69 TYR C C 174.839 . 1 683 69 69 TYR CA C 59.594 . 1 684 69 69 TYR CB C 40.194 . 1 685 69 69 TYR CD1 C 132.9 . 3 686 69 69 TYR CD2 C 132.9 . 3 687 69 69 TYR CE1 C 116.9 . 3 688 69 69 TYR CE2 C 116.9 . 3 689 69 69 TYR N N 126.386 . 1 690 70 70 LEU H H 7.711 . 1 691 70 70 LEU HA H 3.76 . 1 692 70 70 LEU HB2 H 1.31 . 2 693 70 70 LEU HB3 H 1.31 . 2 694 70 70 LEU HG H 1.39 . 1 695 70 70 LEU HD1 H 0.82 . 2 696 70 70 LEU HD2 H 0.79 . 2 697 70 70 LEU C C 177.227 . 1 698 70 70 LEU CA C 57.057 . 1 699 70 70 LEU CB C 41.238 . 1 700 70 70 LEU CG C 26.8 . 1 701 70 70 LEU CD1 C 23.6 . 2 702 70 70 LEU CD2 C 24.1 . 2 703 70 70 LEU N N 128.629 . 1 704 71 71 GLY H H 9.272 . 1 705 71 71 GLY HA2 H 4.18 . 2 706 71 71 GLY HA3 H 3.81 . 2 707 71 71 GLY C C 173.646 . 1 708 71 71 GLY CA C 45.268 . 1 709 71 71 GLY N N 114.781 . 1 710 72 72 ASP H H 7.680 . 1 711 72 72 ASP HA H 5.04 . 1 712 72 72 ASP HB2 H 2.53 . 2 713 72 72 ASP HB3 H 2.31 . 2 714 72 72 ASP C C 176.824 . 1 715 72 72 ASP CA C 55.639 . 1 716 72 72 ASP CB C 41.089 . 1 717 72 72 ASP N N 122.560 . 1 718 73 73 MET H H 8.826 . 1 719 73 73 MET HA H 5.29 . 1 720 73 73 MET HB2 H 2.0 . 2 721 73 73 MET HB3 H 2.30 . 2 722 73 73 MET HG2 H 2.85 . 2 723 73 73 MET HG3 H 2.85 . 2 724 73 73 MET C C 175.720 . 1 725 73 73 MET CA C 55.117 . 1 726 73 73 MET CB C 36.313 . 1 727 73 73 MET CG C 32.5 . 1 728 73 73 MET N N 118.999 . 1 729 74 74 THR H H 8.411 . 1 730 74 74 THR HA H 5.83 . 1 731 74 74 THR HB H 3.73 . 1 732 74 74 THR HG2 H 1.29 . 1 733 74 74 THR C C 173.690 . 1 734 74 74 THR CA C 61.460 . 1 735 74 74 THR CB C 71.831 . 1 736 74 74 THR CG2 C 21.5 . 1 737 74 74 THR N N 118.609 . 1 738 75 75 GLY H H 8.230 . 1 739 75 75 GLY HA2 H 5.07 . 2 740 75 75 GLY HA3 H 3.31 . 2 741 75 75 GLY C C 171.766 . 1 742 75 75 GLY CA C 43.924 . 1 743 75 75 GLY N N 113.677 . 1 744 76 76 SER H H 7.808 . 1 745 76 76 SER HA H 4.38 . 1 746 76 76 SER HB2 H 3.20 . 2 747 76 76 SER HB3 H 3.05 . 2 748 76 76 SER C C 174.615 . 1 749 76 76 SER CA C 57.803 . 1 750 76 76 SER CB C 64.743 . 1 751 76 76 SER N N 112.778 . 1 752 77 77 ARG H H 7.927 . 1 753 77 77 ARG HA H 3.99 . 1 754 77 77 ARG HB2 H 1.97 . 2 755 77 77 ARG HB3 H 1.92 . 2 756 77 77 ARG HG2 H 1.71 . 2 757 77 77 ARG HG3 H 1.71 . 2 758 77 77 ARG HD2 H 3.24 . 2 759 77 77 ARG HD3 H 3.67 . 2 760 77 77 ARG C C 175.735 . 1 761 77 77 ARG CA C 60.490 . 1 762 77 77 ARG CB C 30.642 . 1 763 77 77 ARG CG C 27.3 . 1 764 77 77 ARG CD C 42.9 . 1 765 77 77 ARG N N 123.400 . 1 766 78 78 THR H H 7.863 . 1 767 78 78 THR HA H 4.51 . 1 768 78 78 THR HG2 H 1.22 . 1 769 78 78 THR C C 173.690 . 1 770 78 78 THR CA C 59.669 . 1 771 78 78 THR CB C 70.264 . 1 772 78 78 THR N N 106.934 . 1 773 80 80 ASP HA H 4.72 . 1 774 80 80 ASP HB2 H 2.79 . 2 775 80 80 ASP HB3 H 2.65 . 2 776 80 80 ASP C C 176.182 . 1 777 80 80 ASP CA C 54.669 . 1 778 80 80 ASP CB C 41.313 . 1 779 81 81 THR H H 8.090 . 1 780 81 81 THR HA H 4.41 . 1 781 81 81 THR C C 173.899 . 1 782 81 81 THR CA C 61.683 . 1 783 81 81 THR CB C 69.667 . 1 784 81 81 THR CG2 C 21.35 . 1 785 81 81 THR N N 113.693 . 1 786 82 82 SER H H 7.986 . 1 787 82 82 SER C C 178.749 . 1 788 82 82 SER CA C 60.191 . 1 789 82 82 SER CB C 64.892 . 1 790 82 82 SER N N 123.528 . 1 stop_ save_